- InChI
- InChI=1S/C7H5BrO2/c8-5-1-2-6-7(3-5)10-4-9-6/h1-3H,4H2
- InChI Key
- FBOYMIDCHINJKC-UHFFFAOYSA-N
- Formula
- C7H5BrO2
- SMILES
- Brc1ccc2c(c1)OCO2
- Molecular Weight1
- 201.02
- CAS
- 2635-13-4
- Other Names
-
- 3,4-Methylenedioxybromobenzene
- 4-Bromomethylenedioxybenzene
- 5-bromobenzo-1,3-dioxole
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.4356 | Relay (... Calculated Property | |
| ΔfG° | 11.75 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -157.27 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 25.46 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 60.87 | kJ/mol | Relay (... Calculated Property |
| IE | 8.21 | eV | Relay (... Calculated Property |
| log10WS | -3.61 | Relay (... Calculated Property | |
| logPoct/wat | 2.178 | Crippen Calculated Property | |
| McVol | 104.110 | ml/mol | McGowan Calculated Property |
| Pc | 5289.26 | kPa | Joback Calculated Property |
| Tboil | 504.65 | K | Relay (... Calculated Property |
| Tc | 769.42 | K | Relay (... Calculated Property |
| Tfus | 309.92 | K | Relay (... Calculated Property |
| Vc | 0.390 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [205.53; 250.68] | J/mol×K | [527.67; 777.88] | 
|
| Cp,gas | 205.53 | J/mol×K | 527.67 | Joback Calculated Property |
| Cp,gas | 214.91 | J/mol×K | 569.37 | Joback Calculated Property |
| Cp,gas | 223.43 | J/mol×K | 611.07 | Joback Calculated Property |
| Cp,gas | 231.19 | J/mol×K | 652.77 | Joback Calculated Property |
| Cp,gas | 238.26 | J/mol×K | 694.47 | Joback Calculated Property |
| Cp,gas | 244.73 | J/mol×K | 736.17 | Joback Calculated Property |
| Cp,gas | 250.68 | J/mol×K | 777.88 | Joback Calculated Property |
| η | [0.0006035; 0.0021301] | Pa×s | [355.23; 527.67] |
|
| η | 0.0021301 | Pa×s | 355.23 | Joback Calculated Property |
| η | 0.0015957 | Pa×s | 383.97 | Joback Calculated Property |
| η | 0.0012444 | Pa×s | 412.71 | Joback Calculated Property |
| η | 0.0010024 | Pa×s | 441.45 | Joback Calculated Property |
| η | 0.0008291 | Pa×s | 470.19 | Joback Calculated Property |
| η | 0.0007010 | Pa×s | 498.93 | Joback Calculated Property |
| η | 0.0006035 | Pa×s | 527.67 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | [358.70; 392.50] | K | [0.10; 2.70] |
|
| Tboilr | 358.70 | K | 0.10 | NIST |
| Tboilr | 392.50 ± 0.50 | K | 2.70 | NIST |
Similar Compounds
Find more compounds similar to 4-Bromo-1,2-(methylenedioxy)benzene.
Sources
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